1-nonyl-1H-imidazol-1-ium tetrafluoroborate

C12H23BF4N2 — CID 87734653

IUPAC1-nonyl-1H-imidazol-1-ium tetrafluoroborate
SMILESCCCCCCCCC[NH+]1C=CN=C1.F[B-](F)(F)F
InChIInChI=1S/C12H22N2.BF4/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14;2-1(3,4)5/h9,11-12H,2-8,10H2,1H3;/q;-1/p+1
InChIKeyDKCFUJBESRKROB-UHFFFAOYSA-O
MW282.13 g/mol
LogP3.43
Rot. Bonds8

About 1-nonyl-1H-imidazol-1-ium tetrafluoroborate

1-nonyl-1H-imidazol-1-ium tetrafluoroborate (PubChem CID 87734653) has the molecular formula C12H23BF4N2 and a molecular weight of 282.13 g/mol. Its IUPAC name is 1-nonyl-1H-imidazol-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-nonyl-1H-imidazol-1-ium tetrafluoroborate
PubChem CID87734653
Molecular FormulaC12H23BF4N2
Molecular Weight282.13 g/mol
Exact Mass282.19
IUPAC Name1-nonyl-1H-imidazol-1-ium tetrafluoroborate
SMILESCCCCCCCCC[NH+]1C=CN=C1.F[B-](F)(F)F
InChIInChI=1S/C12H22N2.BF4/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14;2-1(3,4)5/h9,11-12H,2-8,10H2,1H3;/q;-1/p+1
InChIKeyDKCFUJBESRKROB-UHFFFAOYSA-O
XLogP3.43
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.13
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-nonyl-1H-imidazol-1-ium tetrafluoroborate?
The IUPAC name of 1-nonyl-1H-imidazol-1-ium tetrafluoroborate (CID 87734653) is 1-nonyl-1H-imidazol-1-ium tetrafluoroborate.
What is the SMILES notation for 1-nonyl-1H-imidazol-1-ium tetrafluoroborate?
The canonical SMILES for 1-nonyl-1H-imidazol-1-ium tetrafluoroborate is CCCCCCCCC[NH+]1C=CN=C1.F[B-](F)(F)F.
What is the InChIKey of 1-nonyl-1H-imidazol-1-ium tetrafluoroborate?
The InChIKey is DKCFUJBESRKROB-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H22N2.BF4/c1-2-3-4-5-6-7-8-10-14-11-9-13-12-14;2-1(3,4)5/h9,11-12H,2-8,10H2,1H3;/q;-1/p+1.
What are the key properties of 1-nonyl-1H-imidazol-1-ium tetrafluoroborate?
1-nonyl-1H-imidazol-1-ium tetrafluoroborate has a molecular weight of 282.13 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nonyl-1H-imidazol-1-ium tetrafluoroborate is sourced from PubChem (CID 87734653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).